(2R)-2-(4-cyanophenyl)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide

C19H26N4O2 — CID 97237736

IUPAC(2R)-2-(4-cyanophenyl)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide
SMILESN#Cc1ccc([C@H](C(N)=O)N2CCCC[C@@H]2CN2CCOCC2)cc1
InChIInChI=1S/C19H26N4O2/c20-13-15-4-6-16(7-5-15)18(19(21)24)23-8-2-1-3-17(23)14-22-9-11-25-12-10-22/h4-7,17-18H,1-3,8-12,14H2,(H2,21,24)/t17-,18-/m1/s1
InChIKeyNJYPDVIVEGWJJI-QZTJIDSGSA-N
MW342.44 g/mol
LogP1.27
Rot. Bonds5

About (2R)-2-(4-cyanophenyl)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide

(2R)-2-(4-cyanophenyl)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 97237736) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2R)-2-(4-cyanophenyl)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-(4-cyanophenyl)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide
PubChem CID97237736
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2R)-2-(4-cyanophenyl)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide
SMILESN#Cc1ccc([C@H](C(N)=O)N2CCCC[C@@H]2CN2CCOCC2)cc1
InChIInChI=1S/C19H26N4O2/c20-13-15-4-6-16(7-5-15)18(19(21)24)23-8-2-1-3-17(23)14-22-9-11-25-12-10-22/h4-7,17-18H,1-3,8-12,14H2,(H2,21,24)/t17-,18-/m1/s1
InChIKeyNJYPDVIVEGWJJI-QZTJIDSGSA-N
XLogP1.27
TPSA82.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyanophenyl)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of (2R)-2-(4-cyanophenyl)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide (CID 97237736) is (2R)-2-(4-cyanophenyl)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for (2R)-2-(4-cyanophenyl)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for (2R)-2-(4-cyanophenyl)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide is N#Cc1ccc([C@H](C(N)=O)N2CCCC[C@@H]2CN2CCOCC2)cc1.
What is the InChIKey of (2R)-2-(4-cyanophenyl)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is NJYPDVIVEGWJJI-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H26N4O2/c20-13-15-4-6-16(7-5-15)18(19(21)24)23-8-2-1-3-17(23)14-22-9-11-25-12-10-22/h4-7,17-18H,1-3,8-12,14H2,(H2,21,24)/t17-,18-/m1/s1.
What are the key properties of (2R)-2-(4-cyanophenyl)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide?
(2R)-2-(4-cyanophenyl)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyanophenyl)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 97237736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).